5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CAS 413610-78-3) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BAS 04845295, 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one, 5-(diphenylmethyl)-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, 5-(diphenylmethyl)-6-hydroxy-2-thioxo-1,3-dihydropyrimidin-4-one, 5-Benzhydryl-6-hydroxy-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.31829 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 846.28253 |
Chemical Identifiers
| CAS Number | 413610-78-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(NC(=S)NC3=O)O |
Product Overview
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CAS 413610-78-3), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 3.31829 indicates that 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 413610-78-3.
What is the molecular formula of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is C17H14N2O2S.
What is the molecular weight of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 310.08 g/mol.
Where can I buy 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.